@<TRIPOS>MOLECULE
BindingDB_15246
 49 50 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.3172   11.0945  -19.8949  C     
2    O        -3.8374   11.8168  -20.7525  O     
3    N        -3.6158   10.1338  -19.3072  N     
4    N        -5.5852   11.3607  -19.6129  N     
5    C        -2.3177    9.7080  -19.4486  C     
6    C        -1.3294   10.3100  -20.2631  C     
7    C        -1.9597    8.5626  -18.6935  C     
8    C        -0.0157    9.8017  -20.3087  C     
9    C        -0.6399    8.0617  -18.7247  C     
10   C         0.3269    8.6767  -19.5375  C     
11   Cl        1.1550   10.5571  -21.2666  Cl    
12   N        -6.0914    9.6940  -17.9495  N     
13   N        -8.5948   10.6927  -17.7048  N     
14   C        -6.4304   10.7622  -18.7245  C     
15   C        -8.2368    9.6303  -16.9360  C     
16   C        -7.7420   11.2678  -18.5897  C     
17   C        -6.9313    9.1069  -17.0597  C     
18   O        -6.5075    8.0274  -16.3226  O     
19   C        -6.4533    7.6482  -13.9010  C     
20   C        -5.7771    8.3470  -15.1136  C     
21   C        -4.2783    8.0044  -15.2782  C     
22   N        -6.2008    6.2057  -13.5735  N     
23   C        -6.5762    5.2380  -14.6413  C     
24   C        -4.8812    5.8889  -12.9639  C     
25   O        -2.8781    7.9560  -17.8720  O     
26   C        -3.7323    7.0137  -18.5532  C     
27   H        -4.1198    9.6336  -18.6492  H     
28   H        -5.9731   12.0980  -20.1109  H     
29   H        -1.5406   11.1376  -20.8207  H     
30   H        -0.3823    7.2529  -18.1549  H     
31   H         1.2788    8.2998  -19.5634  H     
32   H        -8.9048    9.2333  -16.2732  H     
33   H        -8.0573   12.0639  -19.1447  H     
34   H        -6.2533    8.2494  -13.0095  H     
35   H        -7.5275    7.7436  -14.0740  H     
36   H        -5.8024    9.4218  -14.8891  H     
37   H        -4.1408    6.9901  -15.6504  H     
38   H        -3.7490    8.1070  -14.3252  H     
39   H        -3.8284    8.6983  -15.9929  H     
40   H        -6.8754    6.0196  -12.8320  H     
41   H        -7.5743    5.4599  -15.0287  H     
42   H        -6.6055    4.2246  -14.2274  H     
43   H        -5.8705    5.2447  -15.4723  H     
44   H        -4.1015    5.7861  -13.7190  H     
45   H        -4.9594    4.9435  -12.4267  H     
46   H        -4.5793    6.6550  -12.2483  H     
47   H        -4.3032    7.4971  -19.3515  H     
48   H        -4.4434    6.6064  -17.8277  H     
49   H        -3.1452    6.1877  -18.9616  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 am
     3    1    4 am
     4    3    5 1
     5    4   14 1
     6    5    6 2
     7    5    7 1
     8    6    8 1
     9    7    9 2
    10    7   25 1
    11    8   10 2
    12    8   11 1
    13    9   10 1
    14   12   14 1
    15   12   17 2
    16   13   15 2
    17   13   16 1
    18   14   16 2
    19   15   17 1
    20   17   18 1
    21   18   20 1
    22   19   20 1
    23   19   22 1
    24   20   21 1
    25   22   23 1
    26   22   24 1
    27   25   26 1
    28    3   27 1
    29    4   28 1
    30    6   29 1
    31    9   30 1
    32   10   31 1
    33   15   32 1
    34   16   33 1
    35   19   34 1
    36   19   35 1
    37   20   36 1
    38   21   37 1
    39   21   38 1
    40   21   39 1
    41   22   40 1
    42   23   41 1
    43   23   42 1
    44   23   43 1
    45   24   44 1
    46   24   45 1
    47   24   46 1
    48   26   47 1
    49   26   48 1
    50   26   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3661
  Crash		| -1.5399
  Polar		| 3.9182
  FragIndex	| 1
  FragRMSD	| 0.643